[3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone

C16H14ClN5O2 — CID 134794472

IUPAC[3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2nnc(-c3cncc(Cl)c3)n2c1)N1CCOCC1
InChIInChI=1S/C16H14ClN5O2/c17-13-7-12(8-18-9-13)15-20-19-14-2-1-11(10-22(14)15)16(23)21-3-5-24-6-4-21/h1-2,7-10H,3-6H2
InChIKeyOEBJRIDKNIEINH-UHFFFAOYSA-N
MW343.77 g/mol
LogP1.92
Rot. Bonds2

About [3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone

[3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone (PubChem CID 134794472) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is [3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone
PubChem CID134794472
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC Name[3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2nnc(-c3cncc(Cl)c3)n2c1)N1CCOCC1
InChIInChI=1S/C16H14ClN5O2/c17-13-7-12(8-18-9-13)15-20-19-14-2-1-11(10-22(14)15)16(23)21-3-5-24-6-4-21/h1-2,7-10H,3-6H2
InChIKeyOEBJRIDKNIEINH-UHFFFAOYSA-N
XLogP1.92
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-pyrrolidin-1-ylmethanone
CID 134795363
3-chloro-8-(morpholine-4-carbonyl)pyrido[2,1-b]quinazolin-11-one
CID 5215714
1-[4-[5-(morpholine-4-carbonyl)-3-pyridinyl]phenyl]ethanone
CID 42845751
3-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 82878738
[4-[4-(5-chloro-3-pyridinyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 86274440
[6-(3,5-dichloroanilino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153503
[2-(5-methyl-3-pyridinyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 74233897
morpholin-4-yl(pyridazin-4-yl)methanone
CID 115736040
N-(3-chlorophenyl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103815
3-(3,5-dimethylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 62388963
[4-(3-methylphenyl)piperazin-1-yl]-[5-(morpholine-4-carbonyl)-3-pyridinyl]methanone
CID 109103768
[3-[(2S)-1-methyl-4-methylsulfonylpiperazin-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone
CID 98776711

Frequently Asked Questions

What is the IUPAC name of [3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone (CID 134794472) is [3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone is O=C(c1ccc2nnc(-c3cncc(Cl)c3)n2c1)N1CCOCC1.
What is the InChIKey of [3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone?
The InChIKey is OEBJRIDKNIEINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c17-13-7-12(8-18-9-13)15-20-19-14-2-1-11(10-22(14)15)16(23)21-3-5-24-6-4-21/h1-2,7-10H,3-6H2.
What are the key properties of [3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone?
[3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone has a molecular weight of 343.77 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chloro-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 134794472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).